STRUCTURAL AND ELECTRONIC PROPERTIES OF AL1-XINXN IN WURTZITE AND ZINCBLENDE PHASES: A COMPARATIVE TIGHT BINDING AND DFT STUDY.
Journal Title: Sciences & Technologie. A, sciences exactes - Year 2017, Vol 0, Issue 46
Abstract
<p>We present a comparative theoretical study on the structural and electronic properties of <em>Al<sub>1−x</sub>In<sub>x</sub>N</em>alloy in both zincblende and wurtzite phases based on the semiempirical <em>sp<sup>3</sup>s<sup>*</sup></em> tight binding model with nearest neighbor interactions and density functional theory with modified Becke–Johnson potential (mBJLDA). Optimizing the lattice parameters, the physical parameters such as band gap, effective mass, density of states and charge density were calculated for the entire composition range of <em>Al<sub>1−x</sub>In<sub>x</sub>N</em>alloy. Results of the calculations made by both theories are found to be in good agreement for both zincblende and wurtzite phases.<strong></strong></p>
Authors and Affiliations
Abdelhakim Meziani, Lemia Semra, Tarik Ouahrani, Azzedine Telia, Hilmi Ünlü
Keywords
Related Articles
- EP ID EP417314
- DOI -
- Views 53
- Downloads 0
INFLUENCE DES NANOTUBES MULTIPAROIS DE CARBONE SUR CERTAINES PROPRIETES PHYSIQUES DE L’ALUMINIUM PUR.
<p>L’objectif de ce travail est l’étude thermodynamique et structurale du nanocomposite Al+0,25% nanotubes multiparois de carbone. Pour la réalisation de cet article, nous avons utilisé plusieurs techniques expérimentale...
MODELISATION DE L’ECOULEMENT TRANSITOIRE D’UN GAZ RAREFIE ENTRE DEUX CYLINDRES COAXIAUX.
<p>Ce travail porte sur l’étude numérique de l'écoulement instationnaire ainsi que le transfert de chaleur à travers un gaz raréfié confiné entre deux cylindres coaxiaux, simulant un filament de tungstène chauffé et une...
PREPARATION OF PAPERS FOR JOURNAL SCIENCES & TECHNOLOGIES A.
<p>We present a space-time transformation to the harmonic oscillator with a time-dependent mass and frequency and we transform the problem to that of constant mass and time-dependent potential of the form . The propaga...
A THIRD ORDER HYPERBOLIC EQUATION WITH NONLOCAL CONDITIONS.
<p>In this paper, we study a mixed problem for a third order hyperbolic equation with non classical boundary condition. We prove the existence and uniqueness of the solution. The proof of the uniqueness is based on a pri...
STRUCTURAL AND ELECTRONIC PROPERTIES OF AL1-XINXN IN WURTZITE AND ZINCBLENDE PHASES: A COMPARATIVE TIGHT BINDING AND DFT STUDY.
<p>We present a comparative theoretical study on the structural and electronic properties of <em>Al<sub>1−x</sub>In<sub>x</sub>N</em>alloy in both zincblende and wurtzite phases based on the semiempirical <em>sp<sup>3</s...